Basin Hopping with Occasional Jumping
نویسندگان
چکیده
Basin-Hopping (BH) or Monte-Carlo Minimization (MCM) is so far the most reliable algorithms in chemical physics to search for the lowest-energy structure of atomic clusters and macromolecular systems. BH transforms the complex energy landscape into a collection of basins, and explores them by hopping, which is achieved by randomMonte Carlo moves and acceptance/rejection using the Metropolis criterion. In this report, we introduce the jumping process in addition to the hopping process in BH. Jumping are invoked when the hopping stagnates by reaching the local optima, and are achieved using the Monte Carlo move at the temperature T = ∞ without rejection. Our Basin-Hopping with Occasional Jumping (BHOJ) algorithm is applied to the Lennard-Jones clusters of several notoriously difficult sizes. It was found that the probability of locating the true global optima using BHOJ is significantly higher than the original BH.
منابع مشابه
Minimalist Jumping Robots for Celestial Exploration
In this paper we describe a novel approach to the design and deployment of small and minimally actuated jumping or hopping robots that are suitable for exploring the unstructured terrains of celestial bodies. We introduce the basic jumping mobility paradigm, as well as the evolution of our hopping robot concept by way of the main prototypes that we have developed. These prototypes show that a s...
متن کاملProtein structure prediction using basin-hopping.
Associative memory Hamiltonian structure prediction potentials are not overly rugged, thereby suggesting their landscapes are like those of actual proteins. In the present contribution we show how basin-hopping global optimization can identify low-lying minima for the corresponding mildly frustrated energy landscapes. For small systems the basin-hopping algorithm succeeds in locating both lower...
متن کاملQuantum basin hopping with gradient-based local optimisation
The quantum basin hopping algorithm for continuous global optimisation combines a local search with Grover’s algorithm, and can locate the global optimum using effort proportional to the square root of the number of basins. This article establishes that Jordan’s quantum gradient estimation method can be incorporated into the quantum basin hopper, providing an extra acceleration proportional to ...
متن کاملA Minimally Actuated Hopping Rover for Exploration of Celestial Bodies
This paper describes a minimalist hopping robot that can perform basic exploration tasks on Mars or other moderate gravity bodies. We show that a single actuator can control the vehicle’s jumping and steering operations, as well as the panning of an on-board camera. Our novel thrusting linkage also leads to good system efficiency. The inherent minimalism of our hopping paradigm offers interesti...
متن کاملThe mechanics of jumping versus steady hopping in yellow-footed rock wallabies.
The goal of our study was to explore the mechanical power requirements associated with jumping in yellow-footed rock wallabies and to determine how these requirements are achieved relative to steady-speed hopping mechanics. Whole body power output and limb mechanics were measured in yellow-footed rock wallabies during steady-speed hopping and moving jumps up to a landing ledge 1.0 m high (appro...
متن کامل